2-ethyl-2,5-bis(hydroxymethyl)hexane-1,6-diol

C10H22O4 — CID 174828696

IUPAC2-ethyl-2,5-bis(hydroxymethyl)hexane-1,6-diol
SMILESCCC(CO)(CO)CCC(CO)CO
InChIInChI=1S/C10H22O4/c1-2-10(7-13,8-14)4-3-9(5-11)6-12/h9,11-14H,2-8H2,1H3
InChIKeyULVKACXNCPXYPK-UHFFFAOYSA-N
MW206.28 g/mol
LogP-0.25
Rot. Bonds8

About 2-ethyl-2,5-bis(hydroxymethyl)hexane-1,6-diol

2-ethyl-2,5-bis(hydroxymethyl)hexane-1,6-diol (PubChem CID 174828696) has the molecular formula C10H22O4 and a molecular weight of 206.28 g/mol. Its IUPAC name is 2-ethyl-2,5-bis(hydroxymethyl)hexane-1,6-diol.

Molecular Properties

Compound Name2-ethyl-2,5-bis(hydroxymethyl)hexane-1,6-diol
PubChem CID174828696
Molecular FormulaC10H22O4
Molecular Weight206.28 g/mol
Exact Mass206.15
IUPAC Name2-ethyl-2,5-bis(hydroxymethyl)hexane-1,6-diol
SMILESCCC(CO)(CO)CCC(CO)CO
InChIInChI=1S/C10H22O4/c1-2-10(7-13,8-14)4-3-9(5-11)6-12/h9,11-14H,2-8H2,1H3
InChIKeyULVKACXNCPXYPK-UHFFFAOYSA-N
XLogP-0.25
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 5-0.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2,2,5-tris(hydroxymethyl)hexane-1,6-diol
CID 22166300
2,2,5,5-tetraethylheptan-1-ol
CID 20826079
2-butyl-2-ethylpropane-1,3-diol
CID 87084275
butane-1,2,3,4-tetrol;2-ethyl-2-(hydroxymethyl)propane-1,3-diol
CID 18956858
alumane;2-ethyl-2-(hydroxymethyl)propane-1,3-diol
CID 175039702
2-ethyl-2-(hydroxymethyl)propane-1,3-diol;propane
CID 159142277
2-ethyl-2-(hydroxymethyl)pentane-1,5-diol;hydrate
CID 174549164
2-butyl-2-ethylpropane-1,3-diol;hexane-1,2-diol
CID 161043370
ethene;2-ethyl-2-(hydroxymethyl)propane-1,3-diol
CID 88683214
2,4-diethyl-2,4-bis(hydroxymethyl)pentane-1,5-diol
CID 11644235
CID 87987203
CID 87987203
azanium;2,2-diethylbutan-1-ol;hydroxide
CID 161381888

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2,5-bis(hydroxymethyl)hexane-1,6-diol?
The IUPAC name of 2-ethyl-2,5-bis(hydroxymethyl)hexane-1,6-diol (CID 174828696) is 2-ethyl-2,5-bis(hydroxymethyl)hexane-1,6-diol.
What is the SMILES notation for 2-ethyl-2,5-bis(hydroxymethyl)hexane-1,6-diol?
The canonical SMILES for 2-ethyl-2,5-bis(hydroxymethyl)hexane-1,6-diol is CCC(CO)(CO)CCC(CO)CO.
What is the InChIKey of 2-ethyl-2,5-bis(hydroxymethyl)hexane-1,6-diol?
The InChIKey is ULVKACXNCPXYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O4/c1-2-10(7-13,8-14)4-3-9(5-11)6-12/h9,11-14H,2-8H2,1H3.
What are the key properties of 2-ethyl-2,5-bis(hydroxymethyl)hexane-1,6-diol?
2-ethyl-2,5-bis(hydroxymethyl)hexane-1,6-diol has a molecular weight of 206.28 g/mol, XLogP of -0.25, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2,5-bis(hydroxymethyl)hexane-1,6-diol is sourced from PubChem (CID 174828696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).